1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-, methyl ester
Basic information
- CAS
131073-52-4- Standard SMILES
COC(=O)c1cnn(C)c1-n1nnc2ccccc2c1=O- InChIKey
OYUDHEDXASMUHS-UHFFFAOYSA-N- Molecular formula
- C13H11N5O3
- Average molar mass
- 285.26 g/mol
- Monoisotopic mass
- 285.08618923
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-, methyl ester
- IUPAC
- methyl 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3-yl)pyrazole-4-carboxylate
Names & synonyms
BRN 36276661H-Pyrazole-4-carboxylic acid, 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-, methyl esterMethyl 1-methyl-5-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-1H-pyrazole-4-carboxylate131073-52-4DTXSID60156870RefChem:240024DTXCID3079361
Database identifiers
- CAS
131073-52-4- PubChem CID
- 3076451
- DTXSID
DTXSID60156870- Nikkaji
- J325.599I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
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Compound notes
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